2-Chloroethyl heptanoate
TL;DR: 2-Chloroethyl heptanoate (CAS 6313-93-5) is a chemical compound with molecular formula C9H17ClO2 and molecular weight 192.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl heptanoate
Also Known As: 2-chloroethyl heptanoate, Heptanoic acid,2-chloroethyl ester, Heptanoic acid, 2-chloroethyl ester, RefChem:259500
| Molecular Formula | C9H17ClO2 |
|---|---|
| Molecular Weight | 192.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 192.0917 |
| Heavy Atoms | 12 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 6313-93-5 |
|---|---|
| SMILES | CCCCCCC(=O)OCCCl |
| InChIKey | YRDZBAQVWWMMSG-UHFFFAOYSA-N |
Product Overview
2-Chloroethyl heptanoate (CAS 6313-93-5), with molecular formula C9H17ClO2 and molecular weight 192.09 g/mol. IUPAC: 2-chloroethyl heptanoate.
Chemical Property Profile of 2-Chloroethyl heptanoate
Property Insights of 2-Chloroethyl heptanoate
The XLogP value of 3.2 indicates that 2-Chloroethyl heptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Chloroethyl heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl heptanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloroethyl heptanoate?
The CAS number of 2-Chloroethyl heptanoate is 6313-93-5.
What is the molecular formula of 2-Chloroethyl heptanoate?
The molecular formula of 2-Chloroethyl heptanoate is C9H17ClO2.
What is the molecular weight of 2-Chloroethyl heptanoate?
The molecular weight of 2-Chloroethyl heptanoate is 192.09 g/mol.
Where can I buy 2-Chloroethyl heptanoate?
You can request a quote for 2-Chloroethyl heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl heptanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.